产品名称：(R)-2-hydroxyisocaproyl-CoA
其他名称： (R)-2-hydroxy-4-methylpentanoyl-CoA；(R)-2-hydroxyisocaproyl-CoA；CHEBI:87433；(2R)-2-hydroxy-4-methylpentanoyl-CoA；(R)-2-hydroxy-4-methylpentanoyl-coenzyme A；(2R)-2-hydroxy-4-methylpentanoyl-coenzyme A；C21089；Q27159620；PubChem CID: 44237126; (Acyl-CoA); [M+H]+;
其他名称： (R)-2-hydroxy-4-methylpentanoyl-CoA；(R)-2-hydroxyisocaproyl-CoA；CHEBI:87433；(2R)-2-hydroxy-4-methylpentanoyl-CoA；(R)-2-hydroxy-4-methylpentanoyl-coenzyme A；(2R)-2-hydroxy-4-methylpentanoyl-coenzyme A；C21089；Q27159620；PubChem CID: 44237126; (Acyl-CoA); [M+H]+;
结构信息
| 分子式 | C27H46N7O18P3S | 分子量 | 881.7 | ||
| IUPAC Name | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methylpentanethioate | ||||
| InChIKey | CFNPCSNXESBNGR-LYALRYAQSA-N | ||||
| InChI | InChI=1S/C27H46N7O18P3S/c1-14(2)9-15(35)26(40)56-8-7-29-17(36)5-6-30-24(39)21(38)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-20(51-53(41,42)43)19(37)25(50-16)34-13-33-18-22(28)31-12-32-23(18)34/h12-16,19-21,25,35,37-38H,5-11H2,1-4H3,(H,29,36)(H,30,39)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/t15-,16-,19-,20-,21+,25-/m1/s1 | ||||
| SMILES | CC(C)CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O | ||||
